Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

	ID:	t116
	Name:	2,3,6-trichlorobenzoic acid
	Description:
	Labels:	Training
	CAS:	50-31-7
	InChi Code:	InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.54	experimental value
1.5556	Tab2: Multilinear model for diverse chemicals (Training set)
1.5556	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID6040296	US EPA CompTox Dashboard